5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione

C16H12BrCl2N3O2 — CID 18318324

IUPAC5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O
InChIInChI=1S/C16H12BrCl2N3O2/c1-16(8-9-2-4-10(17)5-3-9)14(23)22(15(24)21-16)11-6-12(18)20-13(19)7-11/h2-7H,8H2,1H3,(H,21,24)
InChIKeyBXUWPEGPMXOMAA-UHFFFAOYSA-N
MW429.10 g/mol
LogP4.21
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione

5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione (PubChem CID 18318324) has the molecular formula C16H12BrCl2N3O2 and a molecular weight of 429.10 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione
PubChem CID18318324
Molecular FormulaC16H12BrCl2N3O2
Molecular Weight429.10 g/mol
Exact Mass426.95
IUPAC Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O
InChIInChI=1S/C16H12BrCl2N3O2/c1-16(8-9-2-4-10(17)5-3-9)14(23)22(15(24)21-16)11-6-12(18)20-13(19)7-11/h2-7H,8H2,1H3,(H,21,24)
InChIKeyBXUWPEGPMXOMAA-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.10
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione (CID 18318324) is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione is CC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is BXUWPEGPMXOMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2N3O2/c1-16(8-9-2-4-10(17)5-3-9)14(23)22(15(24)21-16)11-6-12(18)20-13(19)7-11/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione?
5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 429.10 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18318324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).